2-[4-(5-bromanylpentoxy)phenyl]-5-heptyl-pyrimidine

Systemtic Name: 2-[4-(5-bromanylpentoxy)phenyl]-5-heptyl-pyrimidine Openeye Name: 2-[4-(5-bromopentoxy)phenyl]-5-heptyl-pyrimidine CAS Name: 2-[4-(5-bromopentoxy)phenyl]-5-heptylpyrimidine IUPAC Name: 2-[4-(5-bromopentoxy)phenyl]-5-heptylpyrimidine Traditional Name: 2-[4-(5-bromopentoxy)phenyl]-5-heptyl-pyrimidine Formula: C22H31BrN2O MolecularWeight: 419.39834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCCCCCBr

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCCCCCBr

InChI

InChI=1S/C22H31BrN2O/c1-2-3-4-5-7-10-19-17-24-22(25-18-19)20-11-13-21(14-12-20)26-16-9-6-8-15-23/h11-14,17-18H,2-10,15-16H2,1H3